N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

C18H23F2N5O2S — CID 86897048

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (PubChem CID 86897048) has the molecular formula C18H23F2N5O2S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
• PubChem CID: 86897048
• Molecular Formula: C18H23F2N5O2S
• Molecular Weight: 411.48 g/mol
• Exact Mass: 411.15
• IUPAC Name: N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
• SMILES: O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCc1nccn1C(F)F
• InChI: InChI=1S/C18H23F2N5O2S/c19-16(20)25-8-6-21-13(25)12-23-14(26)10-18(4-2-1-3-5-18)11-15(27)24-17-22-7-9-28-17/h6-9,16H,1-5,10-12H2,(H,23,26)(H,22,24,27)
• InChIKey: HGIWSDZHPQIPGW-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.48
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?

The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide (CID 86897048) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide.

What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?

The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)NCc1nccn1C(F)F.

What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?

The InChIKey is HGIWSDZHPQIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2S/c19-16(20)25-8-6-21-13(25)12-23-14(26)10-18(4-2-1-3-5-18)11-15(27)24-17-22-7-9-28-17/h6-9,16H,1-5,10-12H2,(H,23,26)(H,22,24,27).

What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide?

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide has a molecular weight of 411.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 86897048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).